MeasureRunWidth measured the width in eight shells of equal count in d*^2 and fitted the three-term
formula gamma0^2 + (gamma_e d*)^2 + (bw |q_z|)^2 to them. On runs predicting ~1000 reflections a frame
the equal-count shells all sat at 3.8-1.8 A, so the low-resolution width was the formula's
extrapolation, and the fit's form flipped with the number of frames (to a pure bandwidth at 50k frames).
The same window-group moment is now also measured in eight shells of equal width in d*, made
non-decreasing (pool adjacent violators, weighted by each shell's summed signal) and kept in RunWidth as
a table that the partiality interpolates linearly in d*. The formula is still fitted on the equal-count
shells and still sets the prediction window. With fewer than three measurable shells the formula is
used as before.
Still battery, 12 non-float sets, together with the sigma-following prediction window (the previous
commit; run 20261026-1021_1b28d6_still-part-comb against rc180 20261026-0857_3882b0_still-part-base1,
0-cycle REFMAC R-free vs deposited, both --no-refine): 6 better, 3 unchanged, 3 worse (by 0.002), sum of
changes -0.027 (the window alone: -0.007); largest gains pal90 -0.014, alvra103_int16 -0.011, lcls222
-0.005; largest losses euxfel152 +0.005, alvra213_int16 +0.005 (+0.010 with the window alone), euxfel83
+0.003. Win/draw/loss against the depositions unchanged at 9/2/1. Rotation: p.hkl byte-identical on
5reo, lyso_x06da_ref and thau_x10sa_16keV.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
(cherry picked from commit de779bb10b1813eeae625e3994b1ca73d6079d7a)
leonarski_f
4dbcb35708